2-chloro-3-methylnaphthalene

C11H9Cl — CID 19990353

IUPAC2-chloro-3-methylnaphthalene
SMILESCc1cc2ccccc2cc1Cl
InChIInChI=1S/C11H9Cl/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7H,1H3
InChIKeyYZMYXWNTNLVDIY-UHFFFAOYSA-N
MW176.65 g/mol
LogP3.80
Rot. Bonds

About 2-chloro-3-methylnaphthalene

2-chloro-3-methylnaphthalene (PubChem CID 19990353) has the molecular formula C11H9Cl and a molecular weight of 176.65 g/mol. Its IUPAC name is 2-chloro-3-methylnaphthalene.

Molecular Properties

Compound Name2-chloro-3-methylnaphthalene
PubChem CID19990353
Molecular FormulaC11H9Cl
Molecular Weight176.65 g/mol
Exact Mass176.04
IUPAC Name2-chloro-3-methylnaphthalene
SMILESCc1cc2ccccc2cc1Cl
InChIInChI=1S/C11H9Cl/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7H,1H3
InChIKeyYZMYXWNTNLVDIY-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylnaphthalene?
The IUPAC name of 2-chloro-3-methylnaphthalene (CID 19990353) is 2-chloro-3-methylnaphthalene.
What is the SMILES notation for 2-chloro-3-methylnaphthalene?
The canonical SMILES for 2-chloro-3-methylnaphthalene is Cc1cc2ccccc2cc1Cl.
What is the InChIKey of 2-chloro-3-methylnaphthalene?
The InChIKey is YZMYXWNTNLVDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7H,1H3.
What are the key properties of 2-chloro-3-methylnaphthalene?
2-chloro-3-methylnaphthalene has a molecular weight of 176.65 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylnaphthalene is sourced from PubChem (CID 19990353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).